1-(4-bromo-3-methylphenyl)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(4-bromo-3-methylphenyl)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
1-(4-bromo-3-methylphenyl)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3970-1294 |
| Compound Name: | 1-(4-bromo-3-methylphenyl)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 439.26 |
| Molecular Formula: | C21 H15 Br N2 O4 |
| Smiles: | Cc1cc(ccc1[Br])N1C(C(=C\c2ccc(cc2)OCC#C)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7884 |
| logD: | 3.712 |
| logSw: | -4.0396 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.808 |
| InChI Key: | URJPKVANEXCWNW-UHFFFAOYSA-N |